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CAS 1196153-33-9 5-chloro-2-ethynylpyridine molecular structure lightbox
CAS RN: 1196153-33-9

5-chloro-2-ethynylpyridine

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251220 100mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250606 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batchno.20250407 1g In stock Shanghai, Chengdu Inquiry
Batchno.20251011 250mg In stock Shanghai Inquiry
Batchno.20260507 5g In stock Shenzhen Inquiry
  • Product code: SSC-020222
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 0.1g, 10g, 0.25g, 1g, 25g
  • Available purity: ≥98%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1196153-33-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 2 In Stock Beijing Inquiry
0.1g ≥98% 1 In Stock Shenzhen Inquiry
10g ≥98% 1 In Stock Hong Kong Inquiry
0.25g ≥98% 0 Out of Stock Shenzhen Inquiry
1g ≥98% 0 Out of Stock Shanghai Inquiry
25g ≥98% 0 Out of Stock Hong Kong Inquiry

1196153-33-9 / 5-chloro-2-ethynylpyridine

5-chloro-2-ethynylpyridine | DTXSID80726195 | RefChem:102300

Standard CAS: 1196153-33-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1196153-33-9
Multi CAS
No
Molecular Formula
C7H4ClN
Molecular Weight
137.560000
Exact Mass
137.003227
SMILES
C#CC1=NC=C(C=C1)Cl
InChI
InChI=1S/C7H4ClN/c1-2-7-4-3-6(8)5-9-7/h1,3-5H
InChIKey
MDWHTKFYMVXXFX-UHFFFAOYSA-N
Synonyms
5-chloro-2-ethynylpyridine DTXSID80726195 RefChem:102300 DTXCID40676940 834-528-5

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
37.18
TPSA
12.89

LogP / Solubility

WLOGP
1.72
MLOGP
1.5
XLogP3
1.8
Consensus LogP
1.67
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.98
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501

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